SCHEMBL519862

SCHEMBL519862

COc1cc(-c2cccnc2)ccc1N

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.65
ALDH1A1 P00352 2/20 0.65
CYP3A4 P08684 2/20 0.65
TSHR P16473 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
MKNK1 Q9BUB5 5/20 0.63
MKNK2 Q9HBH9 5/20 0.63
CYP11B2 P19099 4/20 0.58
CYP19A1 P11511 3/20 0.58
CYP11B1 P15538 3/20 0.58
CYP17A1 P05093 2/20 0.56
MAPK1 P28482 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.53
PSIP1 O75475 1/20 0.53
AXL P30530 1/20 0.53
PDGFRB P09619 1/20 0.51
PDGFRA P16234 1/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 2/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10208603 0.87 MKNK1 (0.59) HSD17B10ALDH1A1CYP3A4MKNK1MKNK2
SCHEMBL30196133 0.85 KDM4E (0.70) HSD17B10MKNK1MKNK2CYP11B2CYP19A1
SCHEMBL11342031 0.85 KDM4E (0.70) HSD17B10MKNK1MKNK2CYP11B2CYP19A1
Hydrochloric Acid SCHEMBL11336399 0.83 KDM4E (0.68) HSD17B10MKNK1MKNK2CYP11B2CYP19A1
SCHEMBL4030646 0.82 S1PR1 (0.67) HSD17B10ALDH1A1CYP3A4MKNK1MKNK2
SCHEMBL1232279 0.81 ALDH1A1 (0.71) HSD17B10ALDH1A1CYP3A4TSHRTDP1
SCHEMBL10654961 0.81 MKNK1 (0.59) HSD17B10MKNK1MKNK2CYP11B2CYP19A1
Hydrochloric Acid SCHEMBL26978935 0.80 ALDH1A1 (0.91) HSD17B10ALDH1A1CYP3A4TSHRTDP1
SCHEMBL29399235 0.80 ALDH1A1 (1.00) HSD17B10ALDH1A1CYP3A4TSHRTDP1
SCHEMBL48945 0.80 ALDH1A1 (1.00) HSD17B10ALDH1A1CYP3A4TSHRTDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 US disclosed
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 HSD17B10 1879/4885ALDH1A1 779/4885CYP3A4 1768/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.